Molecular Weight:528.062359 [g/mol]
Molecular Formula:C13H6Br2F6N2O2S
XLogP3-AA:6
H-Bond Donor:1
H-Bond Acceptor:9
Rotatable Bond Count:3
Tautomer Count:2
Exact Mass:527.840046
MonoIsotopic Mass:525.842093
Topological Polar Surface Area:79.5
Heavy Atom Count:26
Formal Charge:0
Complexity:512
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:2
Effective Rotor Count:6
Conformer Sampling RMSD:0.8
CID Conformer Count:12
Safety and Handling
【Specification】
Thifluzamide (CAS NO.130000-40-7) is also named as 5-Thiazolecarboxamide, N-(2,6-dibromo-4-(trifluoromethoxy)phenyl)-2-methyl-4-(trifluoromethyl)- . Pure product is white solid powder.